N-benzhydryl-5-bromofuran-2-carboxamide

C18H14BrNO2 — CID 1292315

IUPACN-benzhydryl-5-bromofuran-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccc(Br)o1
InChIInChI=1S/C18H14BrNO2/c19-16-12-11-15(22-16)18(21)20-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H,(H,20,21)
InChIKeyWCKQIWQIZYEJIR-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.56
Rot. Bonds4

About N-benzhydryl-5-bromofuran-2-carboxamide

N-benzhydryl-5-bromofuran-2-carboxamide (PubChem CID 1292315) has the molecular formula C18H14BrNO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is N-benzhydryl-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-5-bromofuran-2-carboxamide
PubChem CID1292315
Molecular FormulaC18H14BrNO2
Molecular Weight356.22 g/mol
Exact Mass355.02
IUPAC NameN-benzhydryl-5-bromofuran-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccc(Br)o1
InChIInChI=1S/C18H14BrNO2/c19-16-12-11-15(22-16)18(21)20-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H,(H,20,21)
InChIKeyWCKQIWQIZYEJIR-UHFFFAOYSA-N
XLogP4.56
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 2788390
Furan-2-carboxamide deriv., 17
CID 44236903
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CID 798489
3-bromo-N-(furan-2-ylmethyl)benzamide
CID 809128
N-(1-adamantyl)-5-bromofuran-2-carboxamide
CID 2930017
5-bromo-N-cycloheptylfuran-2-carboxamide
CID 673585
2-bromo-N-(furan-2-ylmethyl)benzamide
CID 721318
N-benzylfuran-2-carboxamide
CID 347531
5-bromo-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
CID 888361
5-bromo-N-[2-phenyl-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
CID 1770747
benzyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 2341426
5-bromo-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 2668570

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-5-bromofuran-2-carboxamide?
The IUPAC name of N-benzhydryl-5-bromofuran-2-carboxamide (CID 1292315) is N-benzhydryl-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-benzhydryl-5-bromofuran-2-carboxamide?
The canonical SMILES for N-benzhydryl-5-bromofuran-2-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Br)o1.
What is the InChIKey of N-benzhydryl-5-bromofuran-2-carboxamide?
The InChIKey is WCKQIWQIZYEJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO2/c19-16-12-11-15(22-16)18(21)20-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H,(H,20,21).
What are the key properties of N-benzhydryl-5-bromofuran-2-carboxamide?
N-benzhydryl-5-bromofuran-2-carboxamide has a molecular weight of 356.22 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-5-bromofuran-2-carboxamide is sourced from PubChem (CID 1292315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).